Cas no 120455-86-9 (2-(pyrimidin-2-yl)acetaldehyde)

2-(pyrimidin-2-yl)acetaldehyde structure
120455-86-9 structure
Product Name:2-(pyrimidin-2-yl)acetaldehyde
CAS No:120455-86-9
MF:C6H6N2O
MW:122.12464094162
CID:105003
PubChem ID:21868466
Update Time:2025-04-18

2-(pyrimidin-2-yl)acetaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidineacetaldehyde
    • 2-(Pyrimidin-2-yl)acetaldehyde
    • 2-pyrimidin-2-ylacetaldehyde
    • 2-Pyrimidineacetaldehyde (9CI)
    • pyriMidin-2-ylacetaldehyde
    • DTXSID70619123
    • 120455-86-9
    • SCHEMBL622632
    • EN300-1838407
    • 2-Pyrimidineacetaldehyde(9ci)
    • pyrimidinylacetaldehyde
    • AB57641
    • (Pyrimidin-2-yl)acetaldehyde
    • AKOS006305765
    • 2-(pyrimidin-2-yl)acetaldehyde
    • Inchi: 1S/C6H6N2O/c9-5-2-6-7-3-1-4-8-6/h1,3-5H,2H2
    • InChI Key: SZLRQSBIYPFIKJ-UHFFFAOYSA-N
    • SMILES: O=CCC1N=CC=CN=1

Computed Properties

  • Exact Mass: 122.04808
  • Monoisotopic Mass: 122.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 89.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.4
  • Topological Polar Surface Area: 42.8?2

Experimental Properties

  • PSA: 42.85

2-(pyrimidin-2-yl)acetaldehyde Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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